Alumina-supported Rh, Rh-2, and Rh-I(CO) as catalysts for hydrogen evolution from water

作者：Ghosh Tushar K^*; Nair Nisanth N

来源：Surface Science, 2015, 632: 20-27.

DOI：10.1016/j.susc.2014.09.009

• Alumina
• Supported rhodium catalysis
• Water splitting
• Hydrogen evolution
• Single atom catalysis

The hydrogen evolution activity of hydroxylated supported rhodium on alumina surface is investigated by ab initio molecular dynamics techniques. We investigate here the details of the mechanism of water dissociation and hydrogen evolution reaction of Rh-n (n = 1,2) and Rh-I(CO) supported on the (0001) alpha- and (110) gamma-Al2O3 surfaces. We find that H-2 evolution reaction is feasible using these catalysts except supported Rh-I(CO). Insights into the effects of oxidation state, surface hydroxylation, surface structure, and cluster size on the hydrogen evolution reaction are reported.

• 出版日期2015-2